SCHEMBL2178566

SCHEMBL2178566

COCCCOc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GCK P35557 9/20 0.53
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
STAT1 P42224 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KCNH2 Q12809 1/20 0.46
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2175767 0.91 GCK (0.54) NPC1MAPTLMNAKDM4EGCK
SCHEMBL2178571 0.88 GCK (0.69) NPC1MAPTLMNAKDM4EGCK
SCHEMBL2175779 0.87 GCK (0.52) NPC1MAPTGCKALDH1A1RAB9A
SCHEMBL2180202 0.86 GCK (0.55) NPC1MAPTLMNAKDM4EGCK
SCHEMBL2179744 0.84 GCK (0.53) NPC1MAPTLMNAGCKALDH1A1
SCHEMBL2175944 0.81 GCK (0.52) NPC1MAPTLMNAGCKALDH1A1
SCHEMBL2177478 0.81 SMN1; SMN2 (0.55) NPC1MAPTLMNAGCKALDH1A1
SCHEMBL2179757 0.81 GCK (0.53) NPC1MAPTGCKALDH1A1RAB9A
SCHEMBL2177526 0.81 GCK (0.54) NPC1MAPTGCKALDH1A1RAB9A
SCHEMBL2177785 0.81 GCK (0.53) NPC1MAPTGCKALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 NPC1 3351/4885MAPT 3236/4885LMNA 4006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.